Intermolecular forces using spatial eigenfunctions

被引：43

作者：

Amos, K. Terry

Musher, Jeremy I.

机构：

[1] Univ Nottingham, Dept Math, Nottingham NG7 2RD, England

[2] Yeshiva Univ, Belfer Grad Sch Sci, New York, NY 10033 USA

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 3卷 / 09期

关键词：

D O I：

10.1016/0009-2614(69)87020-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A formulation is presented for the determination of intermolecular forces using spatial eigenfunctions. rather than wavefunctions which contain spin. This formulation, along with a new perturbation theoretic procedure, should simplify the calculation of these forces. Also. the role of the Pauli principle in requiring wavefunctions to be eigenfunctions of S-2 is discussed briefly.

引用

页码：721 / 725

页数：5

共 14 条

[1] A new description of interatomic and intermolecular interactions [J].

Amos, A. T. ;

Musher, J. I. .

CHEMICAL PHYSICS LETTERS, 1967, 1 (04) :149-152

[2] IMPROVED QUANTUM THEORY OF MANY-ELECTRON SYSTEMS .I. CONSTRUCTION OF EIGENFUNCTIONS OF S2 WHICH SATISFY PAULIS PRINCIPLE [J].

GODDARD, WA .

PHYSICAL REVIEW, 1967, 157 (01) :73-&

[3]

Hamermesh M., 1962, GROUP THEORY

[4] NEW TYPE OF MOLECULAR PERTURBATION TREATMENT [J].

HIRSCHFELDER, JO ;

SILBEY, R .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (06) :2188-+

[5]

Hirschfelder JO., 1967, CHEM PHYS LETT, V1, P363, DOI [10.1016/0009-2614(67)80036-8, DOI 10.1016/0009-2614(67)80036-8]

[6]

KLEIN DJ, IN PRESS J PHYS CHEM

[7]

KLEIN DJ, IN PRESS

[8]

Kotani M., 1955, TABLE MOL INTEGRALS

[9] INTERMOLECULAR FORCES IN REGION OF SMALL ORBITAL OVERLAP [J].

MURRELL, JN ;

SHAW, G .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) :1768-&

[10] ACCURATE ATOMIC AND MOLECULAR WAVE FUNCTIONS WITHOUT EXCHANGE [J].

MUSHER, JI ;

SILBEY, R .

PHYSICAL REVIEW, 1968, 174 (01) :94-&

← 1 2 →